6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine

C10H11ClN4O — CID 104924020

IUPAC6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCc1cc(CNc2cc(N)cc(Cl)n2)no1
InChIInChI=1S/C10H11ClN4O/c1-6-2-8(15-16-6)5-13-10-4-7(12)3-9(11)14-10/h2-4H,5H2,1H3,(H3,12,13,14)
InChIKeyDAVQWJUYYBCDDD-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.23
Rot. Bonds3

About 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine

6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine (PubChem CID 104924020) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
PubChem CID104924020
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCc1cc(CNc2cc(N)cc(Cl)n2)no1
InChIInChI=1S/C10H11ClN4O/c1-6-2-8(15-16-6)5-13-10-4-7(12)3-9(11)14-10/h2-4H,5H2,1H3,(H3,12,13,14)
InChIKeyDAVQWJUYYBCDDD-UHFFFAOYSA-N
XLogP2.23
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80903751
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80812985
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814394
6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80812986
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 104925117
6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
CID 104923669
5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
CID 104841408
2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564722
2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80958301
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
CID 104918835

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine (CID 104924020) is 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine is Cc1cc(CNc2cc(N)cc(Cl)n2)no1.
What is the InChIKey of 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine?
The InChIKey is DAVQWJUYYBCDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-2-8(15-16-6)5-13-10-4-7(12)3-9(11)14-10/h2-4H,5H2,1H3,(H3,12,13,14).
What are the key properties of 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine?
6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine has a molecular weight of 238.68 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 104924020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).